dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate

C17H20O5Si — CID 13221833

IUPACdimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2([Si](C)(C)C)OC1c1ccccc12
InChIInChI=1S/C17H20O5Si/c1-20-15(18)12-13(16(19)21-2)17(23(3,4)5)11-9-7-6-8-10(11)14(12)22-17/h6-9,14H,1-5H3
InChIKeyUVHDSZCOEZXKBE-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.49
Rot. Bonds3

About dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate

dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate (PubChem CID 13221833) has the molecular formula C17H20O5Si and a molecular weight of 332.43 g/mol. Its IUPAC name is dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
PubChem CID13221833
Molecular FormulaC17H20O5Si
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Namedimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2([Si](C)(C)C)OC1c1ccccc12
InChIInChI=1S/C17H20O5Si/c1-20-15(18)12-13(16(19)21-2)17(23(3,4)5)11-9-7-6-8-10(11)14(12)22-17/h6-9,14H,1-5H3
InChIKeyUVHDSZCOEZXKBE-UHFFFAOYSA-N
XLogP2.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Catalpalactone
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10-Angeloylbutylphthalide
CID 11572826
4-(3-oxo-1H-2-benzofuran-1-yl)butan-2-yl 2-methylbut-2-enoate
CID 73015837
Dimethyl 1-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
CID 342669
Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
CID 299223
Methyl 2-(1,3-dihydro-2-benzofuran-1-yl)acetate
CID 12433292
2-(1,3-Dihydro-2-benzofuran-1-yl)acetic acid
CID 20495844
(3S)-3-(2,2-dimethyl-6-oxo-3H-pyran-5-yl)-3H-2-benzofuran-1-one
CID 92448142
[(2S)-4-[(1S)-3-oxo-1H-2-benzofuran-1-yl]butan-2-yl] (Z)-2-methylbut-2-enoate
CID 162855599
[(2R)-4-[(1S)-3-oxo-1H-2-benzofuran-1-yl]butan-2-yl] (Z)-2-methylbut-2-enoate
CID 163190353
Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
CID 3095117

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate?
The IUPAC name of dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate (CID 13221833) is dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate.
What is the SMILES notation for dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate?
The canonical SMILES for dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2([Si](C)(C)C)OC1c1ccccc12.
What is the InChIKey of dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate?
The InChIKey is UVHDSZCOEZXKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5Si/c1-20-15(18)12-13(16(19)21-2)17(23(3,4)5)11-9-7-6-8-10(11)14(12)22-17/h6-9,14H,1-5H3.
What are the key properties of dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate?
dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate has a molecular weight of 332.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate is sourced from PubChem (CID 13221833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).